[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-thiophen-3-ylethanoate

Systemtic Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-thiophen-3-ylethanoate Openeye Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid [2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)CC3=CSC=C3

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)CC3=CSC=C3

InChI

InChI=1S/C21H20N2O4S/c1-14-10-18(19(24)12-27-20(25)11-16-8-9-28-13-16)15(2)23(14)22-21(26)17-6-4-3-5-7-17/h3-10,13H,11-12H2,1-2H3,(H,22,26)